CID 24208913

853310-87-9

Structural Information

Molecular Formula
C19H20N2S
SMILES
CC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI
InChI=1S/C19H20N2S/c1-14-8-10-21(11-9-14)18-13-17(19-7-4-12-22-19)20-16-6-3-2-5-15(16)18/h2-7,12-14H,8-11H2,1H3
InChIKey
SPEGPUKDCNXYSJ-UHFFFAOYSA-N
Compound name
4-(4-methylpiperidin-1-yl)-2-thiophen-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1347 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.141976 171.3
[M+Na]+ 331.123918 180.2
[M-H]- 307.127424 179.4
[M+NH4]+ 326.168523 186.9
[M+K]+ 347.097858 173.4
[M+H-H2O]+ 291.131960 162.3
[M+HCOO]- 353.132901 185.9
[M+CH3COO]- 367.148551 182.3
[M+Na-2H]- 329.109366 172.2
[M]+ 308.13415142 171.0
[M]- 308.13524858 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.